Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7830280 | 0.90 | SLC6A4 (0.39) | SLC6A4SLC6A2PARP1 | |
| SCHEMBL7821526 | 0.89 | NOS2 (0.34) | SLC6A4NOS2SLC6A2PARP1NOS3 | |
| SCHEMBL7821922 | 0.86 | SLC6A2 (0.39) | SLC6A4NOS2SLC6A2SLC6A3FNTA | |
| SCHEMBL7834084 | 0.79 | SLC6A2 (0.39) | SLC6A4SLC6A2SLC6A3TACR1CACNA1B | |
| SCHEMBL7834047 | 0.74 | DRD2 (0.47) | SLC6A4SLC6A2CACNA1BACACB | |
| SCHEMBL7711061 | 0.73 | CHRM4 (0.48) | CHRM4ACACB | |
| SCHEMBL7835874 | 0.72 | CKS1B (0.37) | ACACB | |
| SCHEMBL4622655 | 0.70 | EPHX1 (0.44) | CACNA1H | |
| SCHEMBL16095302 | 0.68 | EPHX1 (0.42) | — | |
| SCHEMBL3837699 | 0.68 | SLC6A2 (0.49) | SLC6A4SLC6A2SLC6A3DCUN1D1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1023068-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-16 | — | — | EP | disclosed |
| EP-1023068-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-1998057638-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-12-23 | — | — | WO | disclosed |